Structure Database (LMSD)

Common Name
11-Cyclohexylundecanoic acid
Systematic Name
11-Cyclohexylundecanoic acid
Synonyms
LM ID
LMFA01140007
Status
Active
Exact Mass
Calculate m/z
268.24023
Formula
C17H32O2
Abbrev
FA 17:1
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]

String Representations

InChiKey (Click to copy)
WFTPSUGFEZHCGU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H32O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h16H,1-15H2,(H,18,19)
SMILES (Click to copy)
C1CC(CCCCCCCCCCC(=O)O)CCC1

References

Reference
Netherlands Institute for Sea Research (NIOZ) MBT database
Comments
Submitted by Henry Boumann, Netherlands

Other Databases

KEGG ID
C12100
HMDB ID
HMDB0030997
CHEBI ID
29736
PubChem CID
192796

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 1
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 305.24
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.55
Molar Refractivity 80.38

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Updated at
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